SCHEMBL4247115

SCHEMBL4247115

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 5/20 0.44
PARP1 P09874 2/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IDE P14735 1/20 0.40
CETP P11597 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4242734 0.97 SMO (0.42) SMOSMN1; SMN2LMNAPARP1PPARG
SCHEMBL4248525 0.89 PARP1 (0.48) SMOSMN1; SMN2LMNAPARP1PPARG
SCHEMBL4253765 0.87 SMO (0.42) SMOSMN1; SMN2LMNAPPARGPPARD
SCHEMBL4246923 0.85 SMO (0.61) SMOSMN1; SMN2LMNAPARP1PPARG
SCHEMBL4244857 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPARP1PPARGPPARD
SCHEMBL4071799 0.82 MAOB (0.50) SMOSMN1; SMN2LMNAPARP1PPARG
SCHEMBL4398189 0.79 SMN1; SMN2 (0.52) SMOSMN1; SMN2LMNAPPARGPPARD
SCHEMBL4250993 0.79 MAOB (0.47) SMOSMN1; SMN2LMNAPARP1PPARG
SCHEMBL4070453 0.79 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPPARGPPARDPPARA
SCHEMBL4252387 0.78 SMN1; SMN2 (0.53) SMOSMN1; SMN2LMNAPPARGPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 SMO 1890/4885SMN1; SMN2 3497/4885LMNA 2895/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.